SCHEMBL5287095

SCHEMBL5287095

NC(C(=O)O)c1cc(F)c(O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GRM1 Q13255 4/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ GRM2 Q14416 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ GRM8 O00222 4/20 0.44
▸ GRM6 O15303 4/20 0.44
▸ GRM4 Q14833 4/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13418576 0.85 CES2 (0.47) HSD17B10KDM4EALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL1240314 0.83 CES2 (0.46) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL24711534 0.83 KDM4E (0.58) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL23129230 0.79 MEN1 (0.56) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL11396129 0.79 HSD17B10 (0.64) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL7091036 0.78 HSD17B10 (0.47) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL15514917 0.78 HSD17B10 (0.47) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL31091372 0.78 HSD17B10 (0.56) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL12648471 0.76 KDM4E (0.50) HSD17B10KDM4EALDH1A1HPGDTDP1
SCHEMBL4314455 0.76 KDM4E (0.50) HSD17B10KDM4EALDH1A1HPGDTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US claimed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 — — WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 — — US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 — — US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 — — US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 — — US disclosed
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 — — US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 — — US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 — — US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 — — US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 — — US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 — — US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 — — EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 HSD17B10 543/4885KDM4E 2706/4885ALDH1A1 1353/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 HSD17B10 1453/4885KDM4E 3959/4885ALDH1A1 2283/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC HSD17B10 1157/4885KDM4E 3957/4885ALDH1A1 1883/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 HSD17B10 140/4885KDM4E 643/4885ALDH1A1 697/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback